ethyl 2-[[4-[(4-butoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonylamino]ethanoate

Systemtic Name: ethyl 2-[[4-[(4-butoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonylamino]ethanoate Openeye Name: ethyl 2-[[4-[(4-butoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]amino]acetate CAS Name: 2-[[[4-[(4-butoxyphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-[(4-butoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]amino]acetate Traditional Name: 2-[[4-(4-butoxybenzyl)piperazin-4-ium-1-carbonyl]amino]acetic acid ethyl ester Formula: C20H32N3O4+ MolecularWeight: 378.48578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)NCC(=O)OCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)NCC(=O)OCC

InChI

InChI=1S/C20H31N3O4/c1-3-5-14-27-18-8-6-17(7-9-18)16-22-10-12-23(13-11-22)20(25)21-15-19(24)26-4-2/h6-9H,3-5,10-16H2,1-2H3,(H,21,25)/p+1